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Title: Materials Data on MgTi3 by Materials Project

Abstract

MgTi3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a distorted body-centered cubic geometry to fourteen Ti atoms. There are eight shorter (2.88 Å) and six longer (3.33 Å) Mg–Ti bond lengths. There are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 8-coordinate geometry to six equivalent Mg and eight equivalent Ti atoms. All Ti–Ti bond lengths are 2.88 Å. In the second Ti site, Ti is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Ti atoms.

Authors:
Publication Date:
Other Number(s):
mp-1094328
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; MgTi3; Mg-Ti
OSTI Identifier:
1679378
DOI:
https://doi.org/10.17188/1679378

Citation Formats

The Materials Project. Materials Data on MgTi3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1679378.
The Materials Project. Materials Data on MgTi3 by Materials Project. United States. doi:https://doi.org/10.17188/1679378
The Materials Project. 2020. "Materials Data on MgTi3 by Materials Project". United States. doi:https://doi.org/10.17188/1679378. https://www.osti.gov/servlets/purl/1679378. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1679378,
title = {Materials Data on MgTi3 by Materials Project},
author = {The Materials Project},
abstractNote = {MgTi3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a distorted body-centered cubic geometry to fourteen Ti atoms. There are eight shorter (2.88 Å) and six longer (3.33 Å) Mg–Ti bond lengths. There are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 8-coordinate geometry to six equivalent Mg and eight equivalent Ti atoms. All Ti–Ti bond lengths are 2.88 Å. In the second Ti site, Ti is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Ti atoms.},
doi = {10.17188/1679378},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}